2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H24ClFN2O2 — CID 45194316

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(Cc3c(F)cccc3Cl)C2)C1=O
InChIInChI=1S/C18H24ClFN2O2/c1-24-11-10-22-8-3-6-18(17(22)23)7-9-21(13-18)12-14-15(19)4-2-5-16(14)20/h2,4-5H,3,6-13H2,1H3
InChIKeySBZTUSCEQLVGES-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.94
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45194316) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45194316
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(Cc3c(F)cccc3Cl)C2)C1=O
InChIInChI=1S/C18H24ClFN2O2/c1-24-11-10-22-8-3-6-18(17(22)23)7-9-21(13-18)12-14-15(19)4-2-5-16(14)20/h2,4-5H,3,6-13H2,1H3
InChIKeySBZTUSCEQLVGES-UHFFFAOYSA-N
XLogP2.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4882509
N-(2-chlorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24794213
[(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 134805759
Cambridge id 5264213
CID 2838260
[1-[(2-Chloro-6-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 2903806
2-(3-Chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45176739
1-[(2-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide;hydrobromide
CID 45264296
1-(2-chloro-4-fluorobenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 46943155
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 49789337
N-(3-chlorobenzyl)-1-(2-methoxyethyl)-N-methylpyrrolidine-3-carboxamide
CID 50954900
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 53181891
9-(2-Chloro-5-fluorobenzyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70718334

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45194316) is 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(Cc3c(F)cccc3Cl)C2)C1=O.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SBZTUSCEQLVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c1-24-11-10-22-8-3-6-18(17(22)23)7-9-21(13-18)12-14-15(19)4-2-5-16(14)20/h2,4-5H,3,6-13H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 354.85 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45194316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).